A mathematical simulation and a numerical investigation of dynamics of intramolecular tautomerny transformation without considering processes of a proton relaxation. Part I. A description of a mathematical modelAbstract
There is a quantum statistical model of prototropic tautomeic transformation caused by vertical transition between different adiabatic potentials with two minima divided by potential barrier offered. Formula for the probability function defining time of tautomer transformation without regard to vibronic relaxation is received.